Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27522272 | 0.91 | ALDH1A1 (0.61) | SIGMAR1ALDH1A1HPGDCYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6779672 | 0.90 | ALDH1A1 (0.59) | SIGMAR1ALDH1A1HPGDCYP2D6CYP2C9 | |
| SCHEMBL18762862 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP2D6CYP2C9CYP1A2 | |
| SCHEMBL30713414 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP2D6CYP2C9CYP1A2 | |
| SCHEMBL1962849 | 0.73 | ALDH1A1 (0.60) | ALDH1A1HPGDCYP2D6CYP2C9CYP1A2 | |
| SCHEMBL30444472 | 0.73 | ALDH1A1 (0.60) | ALDH1A1HPGDCYP2D6CYP2C9CYP1A2 | |
| SCHEMBL351439 | 0.72 | ALDH1A1 (1.00) | ALDH1A1HPGDCYP2D6CYP2C9CYP1A2 | |
| SCHEMBL30281223 | 0.72 | ALDH1A1 (1.00) | ALDH1A1HPGDCYP2D6CYP2C9CYP1A2 | |
| SCHEMBL1633474 | 0.72 | KMT2A (0.57) | ALDH1A1HPGDCYP2D6CYP2C9CYP1A2 | |
| SCHEMBL30422164 | 0.71 | ALDH1A1 (0.61) | ALDH1A1HPGDCYP2D6CYP2C9CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831199-B1 | In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 | G. D. SEARLE & CO. | 2004-12-14 | — | — | US | disclosed |
| EP-0850221-B1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | SEARLE & CO (US) | 2001-07-18 | — | — | EP | disclosed |
| US-6028223-A | AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| EP-0850221-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997008145-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-03-06 | — | — | WO | disclosed |